bands2xmgr

Utility for visualizing SIESTA bands and density-of-states results.

The function bands2xmgr reads “systemlabel.bands” and “systemlabel.DOS” of SIESTA and writes “systemlabel.agr” for XMGR/GRACE and (optionally) an eps file “systemlabel.eps”.

Usage :

bands2xmgr systemlabel [flags]

where the optional keyword flags are:

-S

: Sort E(k) for smoother band lines,

-O

: Output (sorted) band structure to specified file ,

-R

: Sort in reverse order,

-fs

: Set the flip sensitivity factor (0.<fs<=1.) where fs=1 corresponds to maximum sensitivity (many band flips),

-f

: Set first band index in the sorting,

-l

: Set last band index in the sorting.

-P

: Print eps file